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Erythrosin extra bluish

CAT: 0024-sc-214973Size: 10 gDry Ice: NoHazardous: No
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CAT#:0024-sc-214973Size:10 g
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CAS Number
16423-68-0

Chemical Information

Erythrosine

Fd&c red no. 3 is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]").<br /> Fd&c red no. 3 belongs to the family of Xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene ring joined to each other by a pyran ring.

CAS Number16423-68-0
PubChem CID3259
IUPAC Name3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one
Molecular FormulaC20H8I4O5
Molecular Weight835.9
XLogP6
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count29
Formal Charge0
Complexity645
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)O)I)I)O)I
InChI
InChI=1S/C20H8I4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H
InChIKey
OALHHIHQOFIMEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Erythrosine
CAS: 16423-68-0
CID: 3259
Formula: C20H8I4O5
MW: 835.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight835.9
XLogP36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass835.6551
Monoisotopic Mass835.6551
Topological Polar Surface Area76 Ų
Heavy Atom Count29
Formal Charge0
Complexity645
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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